Random-phase approximation and its applications in computational chemistry and materials science

By Xinguo Ren, Patrick Rinke, C. Joas, Matthias Scheffler. Journal of Materials Science, 2012

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The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of RPA, and its applications to realistic systems. With several illustrating applications, we discuss the implications of RPA for computational chemistry and materials science. The computational cost of RPA is also addressed which is critical for its widespread use in future applications. In addition, current correction schemes going beyond RPA and directions of further development will be discussed.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/31ebd95283258e6e72e60d6cba84231ae95fe94a